5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione

C19H16Cl2N4O3 — CID 156823207

IUPAC5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(c2ccccn2)N1
InChIInChI=1S/C19H16Cl2N4O3/c20-13-7-11-9-25(10-12(11)8-14(13)21)16(26)4-5-19(15-3-1-2-6-22-15)17(27)23-18(28)24-19/h1-3,6-8H,4-5,9-10H2,(H2,23,24,27,28)
InChIKeyRZYRWVVQRWYGNG-UHFFFAOYSA-N
MW419.27 g/mol
LogP2.75
Rot. Bonds4

About 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione

5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 156823207) has the molecular formula C19H16Cl2N4O3 and a molecular weight of 419.27 g/mol. Its IUPAC name is 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID156823207
Molecular FormulaC19H16Cl2N4O3
Molecular Weight419.27 g/mol
Exact Mass418.06
IUPAC Name5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(c2ccccn2)N1
InChIInChI=1S/C19H16Cl2N4O3/c20-13-7-11-9-25(10-12(11)8-14(13)21)16(26)4-5-19(15-3-1-2-6-22-15)17(27)23-18(28)24-19/h1-3,6-8H,4-5,9-10H2,(H2,23,24,27,28)
InChIKeyRZYRWVVQRWYGNG-UHFFFAOYSA-N
XLogP2.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[3-[5-chloro-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-2-hydroxy-5-pyridin-2-ylimidazolidin-4-one
CID 166705257
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
5-[3-[5-methyl-6-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]-5-pyrazin-2-ylimidazolidine-2,4-dione
CID 156823098
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(1,3-oxazol-4-yl)imidazolidine-2,4-dione
CID 137468089
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
(5S)-5-[3-[(5R)-7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-3-oxopropyl]-5-(1-methylimidazol-2-yl)imidazolidine-2,4-dione
CID 175590417
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
3-(2,5-dioxo-4-pyrimidin-2-ylimidazolidin-4-yl)propanoic acid
CID 121449056
3-(2,5-dioxo-4-phenylimidazolidin-4-yl)-N-pyridin-2-ylpropanamide
CID 110677297
1-(1,3-dihydroisoindol-2-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 122156241
(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822915

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 156823207) is 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(=O)C(CCC(=O)N2Cc3cc(Cl)c(Cl)cc3C2)(c2ccccn2)N1.
What is the InChIKey of 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is RZYRWVVQRWYGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O3/c20-13-7-11-9-25(10-12(11)8-14(13)21)16(26)4-5-19(15-3-1-2-6-22-15)17(27)23-18(28)24-19/h1-3,6-8H,4-5,9-10H2,(H2,23,24,27,28).
What are the key properties of 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 419.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 156823207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).